[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C24H27N3O3 MolecularWeight: 405.48948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C24H27N3O3/c1-4-5-9-19-12-14-20(15-13-19)25-22(28)16-30-24(29)23-17(2)26-27(18(23)3)21-10-7-6-8-11-21/h6-8,10-15H,4-5,9,16H2,1-3H3,(H,25,28)